# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_210710a_0m
_database_code_depnum_ccdc_archive 'CCDC 2132508'
loop_
_audit_author_name
_audit_author_address
'zhang enshen'
;Anhui Normal University
China
;
_audit_update_record             
;
2022-01-05 deposited with the CCDC.	2022-03-28 downloaded from the CCDC.
;
_audit_creation_date             2021-07-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H18 Cl N O'
_chemical_formula_sum            'C25 H18 Cl N O'
_chemical_formula_weight         383.85
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.006(19)
_cell_length_b                   9.36(2)
_cell_length_c                   14.18(3)
_cell_angle_alpha                90.17(3)
_cell_angle_beta                 93.99(3)
_cell_angle_gamma                104.70(3)
_cell_volume                     1025(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3633
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      26.753
_cell_measurement_theta_min      2.637
_shelx_estimated_absorpt_T_max   0.961
_shelx_estimated_absorpt_T_min   0.957
_exptl_absorpt_coefficient_mu    0.201
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             400
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1840
_diffrn_reflns_av_unetI/netI     0.1155
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10075
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.995
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_min         1.440
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2885
_reflns_number_total             3607
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.293
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3607
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0526
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0529P)²+0.1621P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1403
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00C(H00C), C00D(H00D), C00E(H00E), C00F(H00F), C00G(H00G),
 C00H(H00H), C00I(H00I), C00J(H00J), C00M(H00M), C00N(H00N), C00O(H00O),
 C00P(H00P), C00Q(H00Q), C00R(H00R)
2.b Idealised Me refined as rotating group:
 C00S(H00A,H00K,H00L)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl01 Cl -0.14993(8) 0.67897(8) 0.29145(4) 0.0822(2) Uani 1 1 d . . . . .
N002 N 0.7201(2) 0.78355(18) 0.96209(10) 0.0655(5) Uani 1 1 d . . . . .
C003 C 0.7923(2) 0.78077(17) 0.63112(11) 0.0450(4) Uani 1 1 d . . . . .
C004 C 0.8249(2) 0.76709(18) 0.73072(11) 0.0458(4) Uani 1 1 d . . . . .
C005 C 0.6767(2) 0.71141(19) 0.79693(11) 0.0481(4) Uani 1 1 d . . . . .
O006 O 0.6634(3) 0.96022(18) 0.85850(12) 0.1047(7) Uani 1 1 d . . . . .
C007 C 0.7042(2) 0.58452(19) 0.86007(11) 0.0462(4) Uani 1 1 d . . . . .
C008 C 0.6081(2) 0.74202(18) 0.58625(11) 0.0459(4) Uani 1 1 d . . . . .
C009 C 0.7290(2) 0.6333(2) 0.95581(12) 0.0538(4) Uani 1 1 d . . . . .
C00A C 0.3953(2) 0.73770(19) 0.43976(11) 0.0490(4) Uani 1 1 d . . . . .
C00B C 0.5717(3) 0.7680(2) 0.49222(12) 0.0523(4) Uani 1 1 d . . . . .
H00B H 0.666079 0.808464 0.457445 0.063 Uiso 1 1 calc R U . . .
C00C C 0.4697(2) 0.6848(2) 0.65012(12) 0.0573(5) Uani 1 1 d . . . . .
H00C H 0.356080 0.655833 0.624016 0.069 Uiso 1 1 calc R U . . .
C00D C 0.9384(3) 0.8308(2) 0.57664(13) 0.0546(5) Uani 1 1 d . . . . .
H00D H 0.920152 0.837090 0.511443 0.065 Uiso 1 1 calc R U . . .
C00E C 0.9985(3) 0.8083(2) 0.77126(13) 0.0581(5) Uani 1 1 d . . . . .
H00E H 1.018754 0.799963 0.836154 0.070 Uiso 1 1 calc R U . . .
C00F C 0.2651(3) 0.60326(19) 0.44434(12) 0.0537(5) Uani 1 1 d . . . . .
H00F H 0.289904 0.526361 0.479393 0.064 Uiso 1 1 calc R U . . .
C00G C 0.3568(3) 0.8494(2) 0.38094(12) 0.0578(5) Uani 1 1 d . . . . .
H00G H 0.442041 0.935916 0.372915 0.069 Uiso 1 1 calc R U . . .
C00H C 0.4985(3) 0.6720(2) 0.74414(12) 0.0587(5) Uani 1 1 d . . . . .
H00H H 0.403002 0.636707 0.779103 0.070 Uiso 1 1 calc R U . . .
C00I C 0.1904(3) 0.8309(2) 0.33444(12) 0.0604(5) Uani 1 1 d . . . . .
H00I H 0.165767 0.905697 0.297184 0.072 Uiso 1 1 calc R U . . .
C00J C 0.0998(3) 0.5830(2) 0.39742(12) 0.0567(5) Uani 1 1 d . . . . .
H00J H 0.016342 0.494051 0.401157 0.068 Uiso 1 1 calc R U . . .
C00K C 0.6846(3) 0.8371(2) 0.87429(14) 0.0628(5) Uani 1 1 d . . . . .
C00L C 0.0634(3) 0.7001(2) 0.34471(11) 0.0547(5) Uani 1 1 d . . . . .
C00M C 1.1082(3) 0.8707(2) 0.61771(15) 0.0616(5) Uani 1 1 d . . . . .
H00M H 1.200430 0.903586 0.580117 0.074 Uiso 1 1 calc R U . . .
C00N C 0.7015(3) 0.4386(2) 0.83634(14) 0.0611(5) Uani 1 1 d . . . . .
H00N H 0.683248 0.405683 0.773588 0.073 Uiso 1 1 calc R U . . .
C00O C 1.1391(3) 0.8607(2) 0.71708(15) 0.0653(5) Uani 1 1 d . . . . .
H00O H 1.251135 0.888706 0.745427 0.078 Uiso 1 1 calc R U . . .
C00P C 0.7552(3) 0.5386(3) 1.02885(14) 0.0740(6) Uani 1 1 d . . . . .
H00P H 0.773219 0.570789 1.091742 0.089 Uiso 1 1 calc R U . . .
C00Q C 0.7270(3) 0.3425(3) 0.90902(18) 0.0799(7) Uani 1 1 d . . . . .
H00Q H 0.726348 0.245398 0.894424 0.096 Uiso 1 1 calc R U . . .
C00R C 0.7531(3) 0.3928(3) 1.00274(17) 0.0841(7) Uani 1 1 d . . . . .
H00R H 0.769774 0.327720 1.049811 0.101 Uiso 1 1 calc R U . . .
C00S C 0.7406(5) 0.8720(3) 1.05178(18) 0.1047(9) Uani 1 1 d . . . . .
H00A H 0.654656 0.823695 1.093157 0.157 Uiso 1 1 calc R U . . .
H00K H 0.726422 0.968747 1.037972 0.157 Uiso 1 1 calc R U . . .
H00L H 0.853900 0.880341 1.081942 0.157 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl01 C00L 1.782(4) . ?
N002 C009 1.428(4) . ?
N002 C00K 1.381(4) . ?
N002 C00S 1.491(4) . ?
C003 C004 1.430(4) . ?
C003 C008 1.519(4) . ?
C003 C00D 1.426(4) . ?
C004 C005 1.551(4) . ?
C004 C00E 1.424(4) . ?
C005 C007 1.540(3) . ?
C005 C00H 1.521(4) . ?
C005 C00K 1.592(4) . ?
O006 C00K 1.226(4) . ?
C007 C009 1.415(4) . ?
C007 C00N 1.400(4) . ?
C008 C00B 1.380(4) . ?
C008 C00C 1.475(4) . ?
C009 C00P 1.404(4) . ?
C00A C00B 1.509(4) . ?
C00A C00F 1.421(4) . ?
C00A C00G 1.420(3) . ?
C00B H00B 0.9300 . ?
C00C H00C 0.9300 . ?
C00C C00H 1.348(4) . ?
C00D H00D 0.9300 . ?
C00D C00M 1.399(4) . ?
C00E H00E 0.9300 . ?
C00E C00O 1.393(4) . ?
C00F H00F 0.9300 . ?
C00F C00J 1.407(4) . ?
C00G H00G 0.9300 . ?
C00G C00I 1.414(4) . ?
C00H H00H 0.9300 . ?
C00I H00I 0.9300 . ?
C00I C00L 1.394(4) . ?
C00J H00J 0.9300 . ?
C00J C00L 1.407(3) . ?
C00M H00M 0.9300 . ?
C00M C00O 1.421(4) . ?
C00N H00N 0.9300 . ?
C00N C00Q 1.407(4) . ?
C00O H00O 0.9300 . ?
C00P H00P 0.9300 . ?
C00P C00R 1.409(5) . ?
C00Q H00Q 0.9300 . ?
C00Q C00R 1.392(5) . ?
C00R H00R 0.9300 . ?
C00S H00A 0.9600 . ?
C00S H00K 0.9600 . ?
C00S H00L 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C009 N002 C00S 125.0(2) . . ?
C00K N002 C009 111.54(16) . . ?
C00K N002 C00S 123.5(2) . . ?
C004 C003 C008 120.51(16) . . ?
C00D C003 C004 117.5(2) . . ?
C00D C003 C008 122.0(2) . . ?
C003 C004 C005 122.2(2) . . ?
C00E C004 C003 119.29(17) . . ?
C00E C004 C005 118.5(2) . . ?
C004 C005 C00K 108.62(19) . . ?
C007 C005 C004 112.99(17) . . ?
C007 C005 C00K 101.0(2) . . ?
C00H C005 C004 112.8(2) . . ?
C00H C005 C007 111.47(17) . . ?
C00H C005 C00K 109.24(16) . . ?
C009 C007 C005 109.3(2) . . ?
C00N C007 C005 130.3(2) . . ?
C00N C007 C009 120.33(16) . . ?
C00B C008 C003 121.74(17) . . ?
C00B C008 C00C 121.8(2) . . ?
C00C C008 C003 116.3(2) . . ?
C007 C009 N002 109.83(16) . . ?
C00P C009 N002 128.9(2) . . ?
C00P C009 C007 121.2(2) . . ?
C00F C00A C00B 124.17(17) . . ?
C00G C00A C00B 118.31(18) . . ?
C00G C00A C00F 117.5(2) . . ?
C008 C00B C00A 127.00(18) . . ?
C008 C00B H00B 116.5 . . ?
C00A C00B H00B 116.5 . . ?
C008 C00C H00C 118.1 . . ?
C00H C00C C008 123.7(2) . . ?
C00H C00C H00C 118.1 . . ?
C003 C00D H00D 118.8 . . ?
C00M C00D C003 122.4(2) . . ?
C00M C00D H00D 118.8 . . ?
C004 C00E H00E 118.9 . . ?
C00O C00E C004 122.3(2) . . ?
C00O C00E H00E 118.9 . . ?
C00A C00F H00F 119.0 . . ?
C00J C00F C00A 121.96(18) . . ?
C00J C00F H00F 119.0 . . ?
C00A C00G H00G 119.6 . . ?
C00I C00G C00A 120.87(19) . . ?
C00I C00G H00G 119.6 . . ?
C005 C00H H00H 117.8 . . ?
C00C C00H C005 124.42(18) . . ?
C00C C00H H00H 117.8 . . ?
C00G C00I H00I 120.2 . . ?
C00L C00I C00G 119.67(19) . . ?
C00L C00I H00I 120.2 . . ?
C00F C00J H00J 120.7 . . ?
C00F C00J C00L 118.61(19) . . ?
C00L C00J H00J 120.7 . . ?
N002 C00K C005 108.2(2) . . ?
O006 C00K N002 125.96(18) . . ?
O006 C00K C005 125.8(2) . . ?
C00I C00L Cl01 120.14(17) . . ?
C00I C00L C00J 121.2(2) . . ?
C00J C00L Cl01 118.68(17) . . ?
C00D C00M H00M 120.1 . . ?
C00D C00M C00O 119.74(19) . . ?
C00O C00M H00M 120.1 . . ?
C007 C00N H00N 120.6 . . ?
C007 C00N C00Q 118.9(2) . . ?
C00Q C00N H00N 120.6 . . ?
C00E C00O C00M 118.8(2) . . ?
C00E C00O H00O 120.6 . . ?
C00M C00O H00O 120.6 . . ?
C009 C00P H00P 121.4 . . ?
C009 C00P C00R 117.1(2) . . ?
C00R C00P H00P 121.4 . . ?
C00N C00Q H00Q 120.0 . . ?
C00R C00Q C00N 120.0(3) . . ?
C00R C00Q H00Q 120.0 . . ?
C00P C00R H00R 118.8 . . ?
C00Q C00R C00P 122.37(19) . . ?
C00Q C00R H00R 118.8 . . ?
N002 C00S H00A 109.5 . . ?
N002 C00S H00K 109.5 . . ?
N002 C00S H00L 109.5 . . ?
H00A C00S H00K 109.5 . . ?
H00A C00S H00L 109.5 . . ?
H00K C00S H00L 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N002 C009 C00P C00R 178.2(2) . . . . ?
C003 C004 C005 C007 128.53(18) . . . . ?
C003 C004 C005 C00H 1.0(2) . . . . ?
C003 C004 C005 C00K -120.30(18) . . . . ?
C003 C004 C00E C00O -0.6(3) . . . . ?
C003 C008 C00B C00A -178.67(14) . . . . ?
C003 C008 C00C C00H 2.9(3) . . . . ?
C003 C00D C00M C00O 0.5(3) . . . . ?
C004 C003 C008 C00B 173.44(15) . . . . ?
C004 C003 C008 C00C -2.5(2) . . . . ?
C004 C003 C00D C00M -2.2(2) . . . . ?
C004 C005 C007 C009 114.19(18) . . . . ?
C004 C005 C007 C00N -68.3(3) . . . . ?
C004 C005 C00H C00C -0.7(3) . . . . ?
C004 C005 C00K N002 -116.2(2) . . . . ?
C004 C005 C00K O006 63.6(3) . . . . ?
C004 C00E C00O C00M -1.2(3) . . . . ?
C005 C004 C00E C00O -179.39(16) . . . . ?
C005 C007 C009 N002 0.0(2) . . . . ?
C005 C007 C009 C00P 179.30(19) . . . . ?
C005 C007 C00N C00Q -178.5(2) . . . . ?
C007 C005 C00H C00C -129.0(2) . . . . ?
C007 C005 C00K N002 2.8(2) . . . . ?
C007 C005 C00K O006 -177.4(2) . . . . ?
C007 C009 C00P C00R -1.0(3) . . . . ?
C007 C00N C00Q C00R 0.4(4) . . . . ?
C008 C003 C004 C005 0.6(2) . . . . ?
C008 C003 C004 C00E -178.16(13) . . . . ?
C008 C003 C00D C00M 178.15(15) . . . . ?
C008 C00C C00H C005 -1.4(3) . . . . ?
C009 N002 C00K C005 -3.0(2) . . . . ?
C009 N002 C00K O006 177.2(2) . . . . ?
C009 C007 C00N C00Q -1.2(3) . . . . ?
C009 C00P C00R C00Q 0.2(4) . . . . ?
C00A C00F C00J C00L -0.1(2) . . . . ?
C00A C00G C00I C00L -1.4(3) . . . . ?
C00B C008 C00C C00H -173.01(18) . . . . ?
C00B C00A C00F C00J 177.06(15) . . . . ?
C00B C00A C00G C00I -176.26(15) . . . . ?
C00C C008 C00B C00A -2.9(3) . . . . ?
C00D C003 C004 C005 -178.98(13) . . . . ?
C00D C003 C004 C00E 2.2(2) . . . . ?
C00D C003 C008 C00B -7.0(2) . . . . ?
C00D C003 C008 C00C 177.09(15) . . . . ?
C00D C00M C00O C00E 1.2(3) . . . . ?
C00E C004 C005 C007 -52.7(2) . . . . ?
C00E C004 C005 C00H 179.76(15) . . . . ?
C00E C004 C005 C00K 58.5(2) . . . . ?
C00F C00A C00B C008 -47.2(2) . . . . ?
C00F C00A C00G C00I 4.5(2) . . . . ?
C00F C00J C00L Cl01 -176.06(12) . . . . ?
C00F C00J C00L C00I 3.5(3) . . . . ?
C00G C00A C00B C008 133.66(18) . . . . ?
C00G C00A C00F C00J -3.8(2) . . . . ?
C00G C00I C00L Cl01 176.80(13) . . . . ?
C00G C00I C00L C00J -2.7(3) . . . . ?
C00H C005 C007 C009 -117.55(18) . . . . ?
C00H C005 C007 C00N 60.0(3) . . . . ?
C00H C005 C00K N002 120.34(18) . . . . ?
C00H C005 C00K O006 -59.9(3) . . . . ?
C00K N002 C009 C007 2.0(2) . . . . ?
C00K N002 C009 C00P -177.2(2) . . . . ?
C00K C005 C007 C009 -1.64(19) . . . . ?
C00K C005 C007 C00N 175.9(2) . . . . ?
C00K C005 C00H C00C 120.3(2) . . . . ?
C00N C007 C009 N002 -177.81(17) . . . . ?
C00N C007 C009 C00P 1.5(3) . . . . ?
C00N C00Q C00R C00P 0.0(4) . . . . ?
C00S N002 C009 C007 -179.9(2) . . . . ?
C00S N002 C009 C00P 0.9(4) . . . . ?
C00S N002 C00K C005 178.8(2) . . . . ?
C00S N002 C00K O006 -1.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
